Delta1DPotential Class Reference

Computes the effective potential from the exact two-body density matrix for delta interactions in 1D. More...

#include <potential.h>

Inheritance diagram for Delta1DPotential:

Collaboration diagram for Delta1DPotential:

Public Member Functions
	Delta1DPotential (double)
	Constructor. More...
	~Delta1DPotential ()
	Destructor.
virtual double	V (const dVec &r)
	The classical potential.
double	V (const dVec &, const dVec &)
	The effective potential. More...
double	dVdlambda (const dVec &, const dVec &)
	The derivative of the effective potential with respect to lambda. More...
double	dVdtau (const dVec &, const dVec &)
	The derivative of the effective potential with respect to tau. More...
Public Member Functions inherited from PotentialBase
	PotentialBase ()
	Constructor.
virtual	~PotentialBase ()
	Destructor.
virtual dVec	gradV (const dVec &)
	The gradient of the potential.
virtual double	grad2V (const dVec &)
	Grad^2 of the potential.
virtual Array< dVec, 1 >	initialConfig (const Container *, MTRand &, const int)
	Default Initial configuration of particles. More...
void	output (const double)
	A debug method that output's the potential to a supplied separation. More...
virtual Array< double, 1 >	getExcLen ()
	Array to hold data elements. More...

Additional Inherited Members
Data Fields inherited from PotentialBase
double	tailV
	Tail correction factor.
Protected Member Functions inherited from PotentialBase
double	deltaSeparation (double sep1, double sep2) const
	Return the minimum image difference for 1D separations.

Detailed Description

Computes the effective potential from the exact two-body density matrix for delta interactions in 1D.

Definition at line 1060 of file potential.h.

Constructor & Destructor Documentation

Delta1DPotential()

Delta1DPotential::Delta1DPotential

(

double

_g

)

Constructor.

Parameters

g	The strength of delta interaction

Definition at line 2170 of file potential.cpp.

                                            :
    PotentialBase(),
    g(_g) 
{
    
    erfCO = 7.0;
    l0 = 2.0*sqrt(constants()->lambda()*constants()->tau());
    li = 4.0*constants()->lambda()/g;
    xi = l0/li;
    
    xiSqOver2 = (0.5)*xi*xi;
    xiSqrtPIOver2 = sqrt(M_PI/2.0)*xi;
}

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Member Function Documentation

dVdlambda()

double Delta1DPotential::dVdlambda ( const dVec &  sep1, const dVec &  sep2  )

virtual

The derivative of the effective potential with respect to lambda.

Computes the non-local two-body effective pair potential.

Parameters

sep1	the first separation
sep2	the second separation

Returns

the derivative of the effective potential with respect to lambda

Reimplemented from PotentialBase.

Definition at line 2319 of file potential.cpp.

{
    
    double dxt = deltaSeparation(sep1[0], sep2[0])/l0;
    double yt = (abs(sep1[0])+abs(sep2[0]))/l0;
    
    double W = Wint(yt,dxt);
    double dWdy = dWdyt(yt,dxt);
    double dWddx = dWddxt(yt,dxt);
    double dWdx = dWdxi(yt,dxt);
 
    double dWdl = ((-1.0)/(2.0*constants()->lambda()))*(yt*dWdy + dxt*dWddx+ xi*dWdx );
    
    return ((-1.0)/W)*dWdl;
}

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dVdtau()

double Delta1DPotential::dVdtau ( const dVec &  sep1, const dVec &  sep2  )

virtual

The derivative of the effective potential with respect to tau.

Computes the non-local two-body effective pair potential.

Parameters

sep1	the first separation
sep2	the second separation

Returns

the derivative of the effective potential with respect to lambda

Reimplemented from PotentialBase.

Definition at line 2344 of file potential.cpp.

{
    
    double dxt = deltaSeparation(sep1[0], sep2[0])/l0;
    double yt = (abs(sep1[0])+abs(sep2[0]))/l0;
    
    double W = Wint(yt,dxt);
    double dWdt = ((1.0)/(2.0*constants()->tau()))  
        * ( (-1.0)*yt*dWdyt(yt,dxt) - dxt*dWddxt(yt,dxt) + xi*dWdxi(yt,dxt) );
 
    return ((-1.0)/W)*dWdt;
}

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V()

double Delta1DPotential::V ( const dVec &  sep1, const dVec &  sep2  )

virtual

The effective potential.

Computes the non-local two-body effective pair potential.

Parameters

sep1	The first separation
sep2	The second separation

Returns

the two-body effective pair potential

Reimplemented from PotentialBase.

Definition at line 2299 of file potential.cpp.

{
    
    double dxt = deltaSeparation(sep1[0], sep2[0])/l0;
    double yt = (abs(sep1[0])+abs(sep2[0]))/l0;
    
    double W = Wint(yt,dxt);
    
    return (-1.0)*log(W);
}

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The documentation for this class was generated from the following files:

• include/potential.h
• src/potential.cpp